OpenCL and CUDA tests are run three times, once for each precision model

platforms/cuda/tests/CMakeLists.txt

@@ -7,6 +7,8 @@ ENABLE_TESTING()
 INCLUDE(FindCUDA)
 INCLUDE_DIRECTORIES(${CUDA_TOOLKIT_INCLUDE})
 
+SET(OPENMM_BUILD_CUDA_DOUBLE_PRECISION_TESTS TRUE CACHE BOOL "Whether to build double precision versions of CUDA test cases")
+
 SET( INCLUDE_SERIALIZATION FALSE )
 #SET( INCLUDE_SERIALIZATION TRUE )
 
@@ -53,6 +55,10 @@ FOREACH(TEST_PROG ${TEST_PROGS})
         ENDIF( INCLUDE_SERIALIZATION )
 
     ENDIF( ${TEST_ROOT} STREQUAL "TestCUDAGBSAOBCForce2" )
-    ADD_TEST(${TEST_ROOT} ${EXECUTABLE_OUTPUT_PATH}/${TEST_ROOT})
+    ADD_TEST(${TEST_ROOT}Single ${EXECUTABLE_OUTPUT_PATH}/${TEST_ROOT} single)
+    IF (OPENMM_BUILD_CUDA_DOUBLE_PRECISION_TESTS)
+        ADD_TEST(${TEST_ROOT}Mixed ${EXECUTABLE_OUTPUT_PATH}/${TEST_ROOT} mixed)
+        ADD_TEST(${TEST_ROOT}Double ${EXECUTABLE_OUTPUT_PATH}/${TEST_ROOT} double)
+    ENDIF(OPENMM_BUILD_CUDA_DOUBLE_PRECISION_TESTS)
 
 ENDFOREACH(TEST_PROG ${TEST_PROGS})

platforms/cuda/tests/TestCudaAndersenThermostat.cpp

@@ -48,12 +48,13 @@
 using namespace OpenMM;
 using namespace std;
 
+CudaPlatform platform;
+
 void testTemperature() {
     const int numParticles = 8;
     const double temp = 100.0;
     const double collisionFreq = 10.0;
     const int numSteps = 10000;
-    CudaPlatform platform;
     System system;
     VerletIntegrator integrator(0.005);
     NonbondedForce* forceField = new NonbondedForce();
@@ -92,7 +93,6 @@ void testConstraints() {
     const double temp = 100.0;
     const double collisionFreq = 10.0;
     const int numSteps = 10000;
-    CudaPlatform platform;
     System system;
     VerletIntegrator integrator(0.005);
     NonbondedForce* forceField = new NonbondedForce();
@@ -144,7 +144,6 @@ void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
     const double collisionFreq = 10.0;
-    CudaPlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     NonbondedForce* forceField = new NonbondedForce();
@@ -201,8 +200,10 @@ void testRandomSeed() {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testTemperature();
         testConstraints();
         testRandomSeed();

platforms/cuda/tests/TestCudaBrownianIntegrator.cpp

@@ -53,8 +53,9 @@ using namespace std;
 
 const double TOL = 1e-5;
 
+CudaPlatform platform;
+
 void testSingleBond() {
-    CudaPlatform platform;
     System system;
     system.addParticle(2.0);
     system.addParticle(2.0);
@@ -91,7 +92,6 @@ void testTemperature() {
     const int numParticles = 8;
     const int numBonds = numParticles-1;
     const double temp = 10.0;
-    CudaPlatform platform;
     System system;
     BrownianIntegrator integrator(temp, 2.0, 0.01);
     HarmonicBondForce* forceField = new HarmonicBondForce();
@@ -128,7 +128,6 @@ void testConstraints() {
     const int numParticles = 8;
     const int numConstraints = 5;
     const double temp = 20.0;
-    CudaPlatform platform;
     System system;
     BrownianIntegrator integrator(temp, 2.0, 0.001);
     integrator.setConstraintTolerance(1e-5);
@@ -177,7 +176,6 @@ void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
     const double collisionFreq = 10.0;
-    CudaPlatform platform;
     System system;
     BrownianIntegrator integrator(temp, 2.0, 0.001);
     NonbondedForce* forceField = new NonbondedForce();
@@ -232,8 +230,10 @@ void testRandomSeed() {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testSingleBond();
         testTemperature();
         testConstraints();

platforms/cuda/tests/TestCudaCMAPTorsionForce.cpp

@@ -50,13 +50,14 @@ using namespace std;
 
 const double TOL = 1e-5;
 
+CudaPlatform platform;
+
 void testCMAPTorsions() {
     const int mapSize = 36;
 
     // Create two systems: one with a pair of periodic torsions, and one with a CMAP torsion
     // that approximates the same force.
 
-    CudaPlatform platform;
     System system1;
     for (int i = 0; i < 5; i++)
         system1.addParticle(1.0);
@@ -104,8 +105,10 @@ void testCMAPTorsions() {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testCMAPTorsions();
     }
     catch(const exception& e) {

platforms/cuda/tests/TestCudaCMMotionRemover.cpp

@@ -50,6 +50,8 @@
 using namespace OpenMM;
 using namespace std;
 
+CudaPlatform platform;
+
 Vec3 calcCM(const vector<Vec3>& values, System& system) {
     Vec3 cm;
     for (int j = 0; j < system.getNumParticles(); ++j) {
@@ -62,7 +64,6 @@ Vec3 calcCM(const vector<Vec3>& values, System& system) {
 
 void testMotionRemoval(Integrator& integrator) {
     const int numParticles = 8;
-    CudaPlatform platform;
     System system;
     HarmonicBondForce* bonds = new HarmonicBondForce();
     bonds->addBond(2, 3, 2.0, 0.5);
@@ -103,8 +104,10 @@ void testMotionRemoval(Integrator& integrator) {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         LangevinIntegrator langevin(0.0, 1e-5, 0.01);
         testMotionRemoval(langevin);
         VerletIntegrator verlet(0.01);

platforms/cuda/tests/TestCudaCheckpoints.cpp

@@ -50,6 +50,8 @@ using namespace std;
 
 const double TOL = 1e-5;
 
+CudaPlatform platform;
+
 void compareStates(State& s1, State& s2) {
     ASSERT_EQUAL_TOL(s1.getTime(), s2.getTime(), TOL);
     int numParticles = s1.getPositions().size();
@@ -71,7 +73,6 @@ void testCheckpoint() {
     const int numParticles = 100;
     const double boxSize = 5.0;
     const double temperature = 200.0;
-    CudaPlatform platform;
     System system;
     system.addForce(new AndersenThermostat(0.0, 100.0));
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -158,8 +159,10 @@ void testCheckpoint() {
     compareStates(s6, s8);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testCheckpoint();
     }
     catch(const exception& e) {

platforms/cuda/tests/TestCudaCustomAngleForce.cpp

@@ -49,9 +49,9 @@ using namespace std;
 
 const double TOL = 1e-5;
 
-void testAngles() {
-    CudaPlatform platform;
+CudaPlatform platform;
 
+void testAngles() {
     // Create a system using a CustomAngleForce.
 
     System customSystem;
@@ -132,7 +132,6 @@ void testAngles() {
 }
 
 void testParallelComputation() {
-    CudaPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -161,8 +160,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testAngles();
         testParallelComputation();
     }

platforms/cuda/tests/TestCudaCustomBondForce.cpp

@@ -48,8 +48,9 @@ using namespace std;
 
 const double TOL = 1e-5;
 
+CudaPlatform platform;
+
 void testBonds() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -102,7 +103,6 @@ void testBonds() {
 }
 
 void testManyParameters() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -136,7 +136,6 @@ void testManyParameters() {
 }
 
 void testParallelComputation() {
-    CudaPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -165,8 +164,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testBonds();
         testManyParameters();
         testParallelComputation();

platforms/cuda/tests/TestCudaCustomCompoundBondForce.cpp

@@ -51,9 +51,9 @@ using namespace std;
 
 const double TOL = 1e-5;
 
-void testBond() {
-    CudaPlatform platform;
+CudaPlatform platform;
 
+void testBond() {
     // Create a system using a CustomCompoundBondForce.
 
     System customSystem;
@@ -142,7 +142,6 @@ void testBond() {
 }
 
 void testPositionDependence() {
-    CudaPlatform platform;
     System customSystem;
     customSystem.addParticle(1.0);
     customSystem.addParticle(1.0);
@@ -168,7 +167,6 @@ void testPositionDependence() {
 }
 
 void testParallelComputation() {
-    CudaPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -201,8 +199,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testBond();
         testPositionDependence();
         testParallelComputation();

platforms/cuda/tests/TestCudaCustomExternalForce.cpp

@@ -49,8 +49,9 @@ using namespace std;
 
 const double TOL = 1e-5;
 
+CudaPlatform platform;
+
 void testForce() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -100,7 +101,6 @@ void testForce() {
 }
 
 void testManyParameters() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     VerletIntegrator integrator(0.01);
@@ -131,7 +131,6 @@ void testManyParameters() {
 }
 
 void testParallelComputation() {
-    CudaPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -162,8 +161,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testForce();
         testManyParameters();
         testParallelComputation();

platforms/cuda/tests/TestCudaCustomGBForce.cpp

@@ -50,11 +50,12 @@ using namespace std;
 
 const double TOL = 1e-5;
 
+CudaPlatform platform;
+
 void testOBC(GBSAOBCForce::NonbondedMethod obcMethod, CustomGBForce::NonbondedMethod customMethod) {
     const int numMolecules = 70;
     const int numParticles = numMolecules*2;
     const double boxSize = 10.0;
-    CudaPlatform platform;
 
     // Create two systems: one with a GBSAOBCForce, and one using a CustomGBForce to implement the same interaction.
 
@@ -168,7 +169,6 @@ void testMembrane() {
     const int numMolecules = 70;
     const int numParticles = numMolecules*2;
     const double boxSize = 10.0;
-    CudaPlatform platform;
 
     // Create a system with an implicit membrane.
 
@@ -254,7 +254,6 @@ void testMembrane() {
 }
 
 void testTabulatedFunction() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -295,7 +294,6 @@ void testTabulatedFunction() {
 }
 
 void testMultipleChainRules() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -323,7 +321,6 @@ void testMultipleChainRules() {
 }
 
 void testPositionDependence() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -383,7 +380,6 @@ void testPositionDependence() {
 }
 
 void testExclusions() {
-    CudaPlatform platform;
     for (int i = 0; i < 4; i++) {
         System system;
         system.addParticle(1.0);
@@ -449,8 +445,10 @@ void testExclusions() {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testOBC(GBSAOBCForce::NoCutoff, CustomGBForce::NoCutoff);
         testOBC(GBSAOBCForce::CutoffNonPeriodic, CustomGBForce::CutoffNonPeriodic);
         testOBC(GBSAOBCForce::CutoffPeriodic, CustomGBForce::CutoffPeriodic);

platforms/cuda/tests/TestCudaCustomHbondForce.cpp

@@ -51,9 +51,9 @@ using namespace std;
 
 const double TOL = 1e-5;
 
-void testHbond() {
-    CudaPlatform platform;
+CudaPlatform platform;
 
+void testHbond() {
     // Create a system using a CustomHbondForce.
 
     System customSystem;
@@ -149,7 +149,6 @@ void testHbond() {
 }
 
 void testExclusions() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -176,7 +175,6 @@ void testExclusions() {
 }
 
 void testCutoff() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -204,7 +202,6 @@ void testCutoff() {
 }
 
 void testCustomFunctions() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -233,8 +230,10 @@ void testCustomFunctions() {
     ASSERT_EQUAL_TOL(0.1*2+0.1*2, state.getPotentialEnergy(), TOL);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testHbond();
         testExclusions();
         testCutoff();

platforms/cuda/tests/TestCudaCustomIntegrator.cpp

@@ -49,13 +49,14 @@
 using namespace OpenMM;
 using namespace std;
 
+CudaPlatform platform;
+
 const double TOL = 1e-5;
 
 /**
  * Test a simple leapfrog integrator on a single bond.
  */
 void testSingleBond() {
-    CudaPlatform platform;
     System system;
     system.addParticle(2.0);
     system.addParticle(2.0);
@@ -100,8 +101,6 @@ void testSingleBond() {
  */
 void testConstraints() {
     const int numParticles = 8;
-    const double temp = 500.0;
-    CudaPlatform platform;
     System system;
     CustomIntegrator integrator(0.002);
     integrator.addPerDofVariable("oldx", 0);
@@ -160,7 +159,6 @@ void testConstraints() {
  */
 void testVelocityConstraints() {
     const int numParticles = 10;
-    CudaPlatform platform;
     System system;
     CustomIntegrator integrator(0.002);
     integrator.addPerDofVariable("x1", 0);
@@ -244,7 +242,6 @@ void testWithThermostat() {
     const double temp = 100.0;
     const double collisionFreq = 10.0;
     const int numSteps = 10000;
-    CudaPlatform platform;
     System system;
     CustomIntegrator integrator(0.005);
     integrator.addUpdateContextState();
@@ -285,7 +282,6 @@ void testWithThermostat() {
  * Test a Monte Carlo integrator that uses global variables and depends on energy.
  */
 void testMonteCarlo() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -340,7 +336,6 @@ void testMonteCarlo() {
 void testSum() {
     const int numParticles = 200;
     const double boxSize = 10;
-    CudaPlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
     NonbondedForce* nb = new NonbondedForce();
@@ -385,7 +380,6 @@ void testSum() {
  * Test an integrator that both uses and modifies a context parameter.
  */
 void testParameter() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     AndersenThermostat* thermostat = new AndersenThermostat(0.1, 0.1);
@@ -411,7 +405,6 @@ void testRandomDistributions() {
     const int numParticles = 100;
     const int numBins = 20;
     const int numSteps = 100;
-    CudaPlatform platform;
     System system;
     for (int i = 0; i < numParticles; i++)
         system.addParticle(1.0);
@@ -479,7 +472,6 @@ void testRandomDistributions() {
 void testPerDofVariables() {
     const int numParticles = 200;
     const double boxSize = 10;
-    CudaPlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(boxSize, 0, 0), Vec3(0, boxSize, 0), Vec3(0, 0, boxSize));
     NonbondedForce* nb = new NonbondedForce();
@@ -535,7 +527,6 @@ void testPerDofVariables() {
  * Test evaluating force groups separately.
  */
 void testForceGroups() {
-    CudaPlatform platform;
     System system;
     system.addParticle(2.0);
     system.addParticle(2.0);
@@ -611,7 +602,6 @@ void testForceGroups() {
  */
 void testRespa() {
     const int numParticles = 8;
-    CudaPlatform platform;
     System system;
     system.setDefaultPeriodicBoxVectors(Vec3(4, 0, 0), Vec3(0, 4, 0), Vec3(0, 0, 4));
     CustomIntegrator integrator(0.002);
@@ -662,8 +652,10 @@ void testRespa() {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testSingleBond();
         testConstraints();
         testVelocityConstraints();

platforms/cuda/tests/TestCudaCustomNonbondedForce.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+CudaPlatform platform;
+
 const double TOL = 1e-5;
 
 void testSimpleExpression() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -74,7 +75,6 @@ void testSimpleExpression() {
 }
 
 void testParameters() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -135,7 +135,6 @@ void testParameters() {
 }
 
 void testManyParameters() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -174,7 +173,6 @@ void testManyParameters() {
 }
 
 void testExclusions() {
-    CudaPlatform platform;
     System system;
     VerletIntegrator integrator(0.01);
     CustomNonbondedForce* nonbonded = new CustomNonbondedForce("a*r; a=a1+a2");
@@ -205,7 +203,6 @@ void testExclusions() {
 }
 
 void testCutoff() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -233,7 +230,6 @@ void testCutoff() {
 }
 
 void testPeriodic() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -262,7 +258,6 @@ void testPeriodic() {
 }
 
 void testTabulatedFunction() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -305,7 +300,6 @@ void testCoulombLennardJones() {
     const int numMolecules = 300;
     const int numParticles = numMolecules*2;
     const double boxSize = 20.0;
-    CudaPlatform platform;
 
     // Create two systems: one with a NonbondedForce, and one using a CustomNonbondedForce to implement the same interaction.
 
@@ -377,7 +371,6 @@ void testCoulombLennardJones() {
 }
 
 void testParallelComputation() {
-    CudaPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -414,8 +407,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testSimpleExpression();
         testParameters();
         testManyParameters();

platforms/cuda/tests/TestCudaCustomTorsionForce.cpp

@@ -50,11 +50,11 @@
 using namespace OpenMM;
 using namespace std;
 
+CudaPlatform platform;
+
 const double TOL = 1e-5;
 
 void testTorsions() {
-    CudaPlatform platform;
-
     // Create a system using a CustomTorsionForce.
 
     System customSystem;
@@ -138,7 +138,6 @@ void testTorsions() {
 }
 
 void testRange() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -172,7 +171,6 @@ void testRange() {
 }
 
 void testParallelComputation() {
-    CudaPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -201,8 +199,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testTorsions();
         testRange();
         testParallelComputation();

platforms/cuda/tests/TestCudaEwald.cpp

@@ -50,6 +50,8 @@
 using namespace OpenMM;
 using namespace std;
 
+CudaPlatform platform;
+
 const double TOL = 1e-5;
 
 void testEwaldPME(bool includeExceptions) {
@@ -61,7 +63,6 @@ void testEwaldPME(bool includeExceptions) {
     const double boxSize 	= 3.00646;
     double tol 				= 1e-5;
 
-    CudaPlatform cu;
     ReferencePlatform reference;
     System system;
     NonbondedForce* nonbonded = new NonbondedForce();
@@ -96,7 +97,7 @@ void testEwaldPME(bool includeExceptions) {
 
     VerletIntegrator integrator1(0.01);
     VerletIntegrator integrator2(0.01);
-    Context cuContext(system, integrator1, cu);
+    Context cuContext(system, integrator1, platform);
     Context referenceContext(system, integrator2, reference);
     cuContext.setPositions(positions);
     referenceContext.setPositions(positions);
@@ -126,7 +127,7 @@ void testEwaldPME(bool includeExceptions) {
         positions[i] = Vec3(p[0]-f[0]*step, p[1]-f[1]*step, p[2]-f[2]*step);
     }
     VerletIntegrator integrator3(0.01);
-    Context cuContext2(system, integrator3, cu);
+    Context cuContext2(system, integrator3, platform);
     cuContext2.setPositions(positions);
 
     tol = 1e-2;
@@ -165,7 +166,7 @@ void testEwaldPME(bool includeExceptions) {
         positions[i] = Vec3(p[0]-f[0]*step, p[1]-f[1]*step, p[2]-f[2]*step);
     }
     VerletIntegrator integrator4(0.01);
-    Context cuContext3(system, integrator4, cu);
+    Context cuContext3(system, integrator4, platform);
     cuContext3.setPositions(positions);
 
     tol = 1e-2;
@@ -174,7 +175,6 @@ void testEwaldPME(bool includeExceptions) {
 }
 
 void testEwald2Ions() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -220,7 +220,6 @@ void testErrorTolerance(NonbondedForce::NonbondedMethod method) {
         positions[i] = Vec3(boxWidth*genrand_real2(sfmt), boxWidth*genrand_real2(sfmt), boxWidth*genrand_real2(sfmt));
     }
     force->setNonbondedMethod(method);
-    CudaPlatform platform;
 
     // For various values of the cutoff and error tolerance, see if the actual error is reasonable.
 
@@ -253,13 +252,15 @@ void testErrorTolerance(NonbondedForce::NonbondedMethod method) {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
-     testEwaldPME(false);
-     testEwaldPME(true);
-//     testEwald2Ions();
-     testErrorTolerance(NonbondedForce::Ewald);
-     testErrorTolerance(NonbondedForce::PME);
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
+        testEwaldPME(false);
+        testEwaldPME(true);
+//        testEwald2Ions();
+        testErrorTolerance(NonbondedForce::Ewald);
+        testErrorTolerance(NonbondedForce::PME);
     }
     catch(const exception& e) {
         cout << "exception: " << e.what() << endl;

platforms/cuda/tests/TestCudaGBSAOBCForce.cpp

@@ -49,10 +49,11 @@
 using namespace OpenMM;
 using namespace std;
 
+CudaPlatform platform;
+
 const double TOL = 1e-5;
 
 void testSingleParticle() {
-    CudaPlatform platform;
     System system;
     system.addParticle(2.0);
     LangevinIntegrator integrator(0, 0.1, 0.01);
@@ -87,7 +88,6 @@ void testSingleParticle() {
 }
 
 void testCutoffAndPeriodic() {
-    CudaPlatform cl;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -113,7 +113,7 @@ void testCutoffAndPeriodic() {
 
     nonbonded->setNonbondedMethod(NonbondedForce::CutoffNonPeriodic);
     gbsa->setNonbondedMethod(GBSAOBCForce::CutoffNonPeriodic);
-    Context context(system, integrator, cl);
+    Context context(system, integrator, platform);
     context.setPositions(positions);
     State state1 = context.getState(State::Forces);
     nonbonded->setNonbondedMethod(NonbondedForce::CutoffPeriodic);
@@ -144,7 +144,6 @@ void testCutoffAndPeriodic() {
 }
 
 void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBCForce::NonbondedMethod method2) {
-    CudaPlatform cl;
     ReferencePlatform reference;
     System system;
     GBSAOBCForce* gbsa = new GBSAOBCForce();
@@ -168,7 +167,7 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC
     system.addForce(nonbonded);
     LangevinIntegrator integrator1(0, 0.1, 0.01);
     LangevinIntegrator integrator2(0, 0.1, 0.01);
-    Context context(system, integrator1, cl);
+    Context context(system, integrator1, platform);
     Context refContext(system, integrator2, reference);
 
     // Set random (but uniformly distributed) positions for all the particles.
@@ -224,8 +223,10 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testSingleParticle();
         testCutoffAndPeriodic();
         for (int i = 5; i < 11; i++) {

platforms/cuda/tests/TestCudaHarmonicAngleForce.cpp

@@ -47,10 +47,11 @@
 using namespace OpenMM;
 using namespace std;
 
+CudaPlatform platform;
+
 const double TOL = 1e-5;
 
 void testAngles() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -99,7 +100,6 @@ void testAngles() {
 }
 
 void testParallelComputation() {
-    CudaPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -127,8 +127,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testAngles();
         testParallelComputation();
     }

platforms/cuda/tests/TestCudaHarmonicBondForce.cpp

@@ -46,10 +46,11 @@
 using namespace OpenMM;
 using namespace std;
 
+CudaPlatform platform;
+
 const double TOL = 1e-5;
 
 void testBonds() {
-    CudaPlatform platform;
     System system;
     system.addParticle(1.0);
     system.addParticle(1.0);
@@ -90,7 +91,6 @@ void testBonds() {
 }
 
 void testParallelComputation() {
-    CudaPlatform platform;
     System system;
     const int numParticles = 200;
     for (int i = 0; i < numParticles; i++)
@@ -118,8 +118,10 @@ void testParallelComputation() {
         ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testBonds();
         testParallelComputation();
     }

platforms/cuda/tests/TestCudaLangevinIntegrator.cpp

@@ -48,10 +48,11 @@
 using namespace OpenMM;
 using namespace std;
 
+CudaPlatform platform;
+
 const double TOL = 1e-5;
 
 void testSingleBond() {
-    CudaPlatform platform;
     System system;
     system.addParticle(2.0);
     system.addParticle(2.0);
@@ -97,7 +98,6 @@ void testSingleBond() {
 void testTemperature() {
     const int numParticles = 8;
     const double temp = 100.0;
-    CudaPlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.01);
     NonbondedForce* forceField = new NonbondedForce();
@@ -133,7 +133,6 @@ void testConstraints() {
     const int numParticles = 8;
     const int numConstraints = 5;
     const double temp = 100.0;
-    CudaPlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.01);
     integrator.setConstraintTolerance(1e-5);
@@ -181,7 +180,6 @@ void testConstraints() {
 void testRandomSeed() {
     const int numParticles = 8;
     const double temp = 100.0;
-    CudaPlatform platform;
     System system;
     LangevinIntegrator integrator(temp, 2.0, 0.01);
     NonbondedForce* forceField = new NonbondedForce();
@@ -236,8 +234,10 @@ void testRandomSeed() {
     }
 }
 
-int main() {
+int main(int argc, char* argv[]) {
     try {
+        if (argc > 1)
+            platform.setPropertyDefaultValue("CudaPrecision", string(argv[1]));
         testSingleBond();
         testTemperature();
         testConstraints();